2-ethoxy-4-[[2-(3-ethoxy-4-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol

C24H24N2O4 — CID 1389440

IUPAC2-ethoxy-4-[[2-(3-ethoxy-4-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol
SMILESCCOc1cc(Cn2c(-c3ccc(O)c(OCC)c3)nc3ccccc32)ccc1O
InChIInChI=1S/C24H24N2O4/c1-3-29-22-13-16(9-11-20(22)27)15-26-19-8-6-5-7-18(19)25-24(26)17-10-12-21(28)23(14-17)30-4-2/h5-14,27-28H,3-4,15H2,1-2H3
InChIKeyXQDLZTHUOJVLNA-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.96
Rot. Bonds7

About 2-ethoxy-4-[[2-(3-ethoxy-4-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol

2-ethoxy-4-[[2-(3-ethoxy-4-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol (PubChem CID 1389440) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-ethoxy-4-[[2-(3-ethoxy-4-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[[2-(3-ethoxy-4-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol
PubChem CID1389440
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name2-ethoxy-4-[[2-(3-ethoxy-4-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol
SMILESCCOc1cc(Cn2c(-c3ccc(O)c(OCC)c3)nc3ccccc32)ccc1O
InChIInChI=1S/C24H24N2O4/c1-3-29-22-13-16(9-11-20(22)27)15-26-19-8-6-5-7-18(19)25-24(26)17-10-12-21(28)23(14-17)30-4-2/h5-14,27-28H,3-4,15H2,1-2H3
InChIKeyXQDLZTHUOJVLNA-UHFFFAOYSA-N
XLogP4.96
TPSA76.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[[2-(3-ethoxy-4-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[[2-(3-ethoxy-4-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol (CID 1389440) is 2-ethoxy-4-[[2-(3-ethoxy-4-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[[2-(3-ethoxy-4-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[[2-(3-ethoxy-4-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol is CCOc1cc(Cn2c(-c3ccc(O)c(OCC)c3)nc3ccccc32)ccc1O.
What is the InChIKey of 2-ethoxy-4-[[2-(3-ethoxy-4-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol?
The InChIKey is XQDLZTHUOJVLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-3-29-22-13-16(9-11-20(22)27)15-26-19-8-6-5-7-18(19)25-24(26)17-10-12-21(28)23(14-17)30-4-2/h5-14,27-28H,3-4,15H2,1-2H3.
What are the key properties of 2-ethoxy-4-[[2-(3-ethoxy-4-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol?
2-ethoxy-4-[[2-(3-ethoxy-4-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol has a molecular weight of 404.47 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[[2-(3-ethoxy-4-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol is sourced from PubChem (CID 1389440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).